2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one

C18H25N3O2 — CID 138005229

IUPAC2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one
SMILESCC(C)C1N(C(=O)c2cc(=O)[nH]c(C3CC3)n2)CC12CCCC2
InChIInChI=1S/C18H25N3O2/c1-11(2)15-18(7-3-4-8-18)10-21(15)17(23)13-9-14(22)20-16(19-13)12-5-6-12/h9,11-12,15H,3-8,10H2,1-2H3,(H,19,20,22)
InChIKeyCKLFCRZGBOQZCX-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.69
Rot. Bonds3

About 2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one (PubChem CID 138005229) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one
PubChem CID138005229
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one
SMILESCC(C)C1N(C(=O)c2cc(=O)[nH]c(C3CC3)n2)CC12CCCC2
InChIInChI=1S/C18H25N3O2/c1-11(2)15-18(7-3-4-8-18)10-21(15)17(23)13-9-14(22)20-16(19-13)12-5-6-12/h9,11-12,15H,3-8,10H2,1-2H3,(H,19,20,22)
InChIKeyCKLFCRZGBOQZCX-UHFFFAOYSA-N
XLogP2.69
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one (CID 138005229) is 2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one is CC(C)C1N(C(=O)c2cc(=O)[nH]c(C3CC3)n2)CC12CCCC2.
What is the InChIKey of 2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is CKLFCRZGBOQZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11(2)15-18(7-3-4-8-18)10-21(15)17(23)13-9-14(22)20-16(19-13)12-5-6-12/h9,11-12,15H,3-8,10H2,1-2H3,(H,19,20,22).
What are the key properties of 2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 315.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 138005229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).